bulk:  Fe bcc 2.851
subst:  Cu 3.54
v1: 2896.68763137
n1: 250
v1pa: 11.5867505255
ene0: -1069.9995
ene0pa: -4.279998
subst n: 29
ene1nm: -1069.2757
ene1nmf: -0.016198
ene2m: -1069.5615
ene2mf: -0.301998
ene3v: -1069.5616
ene3vf: -0.302098
esubf: -0.302098
V4: 2896.07871431
vintf:  10.9778334588
vintfr:  0.947447123735
